Crystal structure of Cu doped La[sub 0.67]Ca[sub 0.33]MnO[sub 3] by Rietveld refinement

The crystal structure of La0.67Ca0.33Mn0.80Cu0.20O3 (LCMCO) compound was determined from laboratory X-ray powder diffraction data and refined by the Rietveld method. LCMCO is isostructural with La0.67Ca0.33MnO3 (LCMO). The crystal data are: La0.64Ca0.36Mn0.82Cu0.18O3.01, M-r=843.80, orthorhombic system, space group Pnma, a=5.4364(1) Angstrom, b=7.6725(2) Angstrom, c=5.4452(1) Angstrom, V=227.124(8) Angstrom(3), Z=4, D-x=6.168 g/cm(3). In comparing with the Cu-free compound, subtle structural changes such as bond lengths and bond angles found in the Cu-doped compound may be responsible for the larger effects on the transport and magnetic properties when Cu partially substitutes for Mn in CMCO. (C) 2004 International Centre for Diffraction Data.